SCHEMBL5072298

SCHEMBL5072298

c1cc(NCCN2CCCC2)cc(N2CCNCC2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 6/20 0.54
GUSB P08236 1/20 0.50
HTR6 P50406 3/20 0.48
SIGMAR1 Q99720 4/20 0.47
HTR3E A5X5Y0 2/20 0.47
HTR3B O95264 2/20 0.47
HTR2C P28335 2/20 0.47
HTR3A P46098 2/20 0.47
HTR3D Q70Z44 2/20 0.47
HTR3C Q8WXA8 2/20 0.47
ALDH1A1 P00352 1/20 0.47
HTR1D P28221 1/20 0.47
ADRB1 P08588 3/20 0.47
HTR1A P08908 3/20 0.47
THRB P10828 2/20 0.47
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL2459199 0.99 HTR7 (0.53) HTR7GUSBHTR6SIGMAR1HTR3E
SCHEMBL8985943 0.79 ADRB1 (0.57) HTR7HTR6SIGMAR1HTR3EHTR3B
SCHEMBL4199194 0.77 HTR7 (0.48) HTR7SIGMAR1ALDH1A1KCNH2DRD3
SCHEMBL475387 0.75 HDAC4 (0.61) HTR7HTR6SIGMAR1HTR3EHTR3B
SCHEMBL7672095 0.75 SIGMAR1 (0.53) HTR7SIGMAR1ALDH1A1CYP3A4CYP2D6
SCHEMBL17276711 0.74 ADRB1 (0.67) HTR7HTR6SIGMAR1HTR3EHTR3B
SCHEMBL14345460 0.74 CYP1A2 (0.62) HTR7ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL6238716 0.74 MEN1 (0.51) HTR7ALDH1A1HDAC4MEF2DMAPT
SCHEMBL2457437 0.74 GPR119 (0.51) HTR7ALDH1A1MAPT
SCHEMBL13345895 0.73 HTR7 (0.57) HTR7HTR6SIGMAR1HTR3EHTR3B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2131656-A2 PHTHALAZINE DERIVATIVES Forest Laboratories Holdings Limited (BM) 2009-12-16 EP disclosed
WO-2008061108-A2 PHTHALAZINE DERIVATIVES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-05-22 WO disclosed